SCHEMBL4275915

SCHEMBL4275915

CC(=O)Oc1cccc(CCCN(CCC(c2ccccc2)c2ccccc2)C(=O)c2cccc(NS(C)(=O)=O)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 2/20 0.58
▸ CASR P41180 11/20 0.47
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ NR3C1 P04150 1/20 0.39
▸ LPAR1 Q92633 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ DRD3 P35462 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3165165 0.89 PTGDR2 (0.75) PTGDR2CASRNR3C1LPAR1DRD2
SCHEMBL4273831 0.89 PTGDR2 (0.61) PTGDR2CASR
SCHEMBL4272587 0.87 PTGDR2 (0.74) PTGDR2CASRALDH1A1SMN1; SMN2POLB
SCHEMBL4283355 0.87 PTGDR2 (0.61) PTGDR2CASRALDH1A1LPAR1
SCHEMBL4272486 0.82 PTGDR2 (0.66) PTGDR2CASRALDH1A1SMN1; SMN2LPAR1
SCHEMBL4273938 0.81 PTGDR2 (0.61) PTGDR2CASRALDH1A1SMN1; SMN2
SCHEMBL4266983 0.81 PTGDR2 (0.65) PTGDR2CASRALDH1A1SMN1; SMN2LPAR1
SCHEMBL4272063 0.81 PTGDR2 (0.78) PTGDR2CASRALDH1A1SMN1; SMN2POLB
SCHEMBL4274292 0.81 PTGDR2 (0.65) PTGDR2CASRALDH1A1SMN1; SMN2LPAR1
SCHEMBL4275411 0.81 PTGDR2 (0.62) PTGDR2CASRALDH1A1LPAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094662-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS Astellas Pharma Inc. (JP) 2009-09-02 — — EP disclosed
WO-2008072784-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2008-06-19 — — WO disclosed
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